Mono-ethylidene digitoxin

3-[3-[5-[5-[(2,4-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Also Known As: Mono-ethylidene digitoxin|3-{[2,6-dideoxy-3,4-o-ethylidenehexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide|3-[3-[5-[5-[(2,4-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|5-beta-Card-20(22)-enolide, 3-beta-((O-2,6-dideoxy-3,4-O-ethylidene-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-

Molecular Formula	C43H66O13
Molecular Weight	790.4503 g/mol
LogP	3.6
Topological Polar Surface Area	161.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	790.4503
Monoisotopic Mass	790.4503
Heavy Atoms	56
Complexity	1490.0

Chemical Identifiers

CAS Number	3349-70-0
SMILES	CC1C2C(CC(O1)OC3C(OC(CC3O)OC4C(OC(CC4O)OC5CCC6(C(C5)CCC7C6CCC8(C7(CCC8C9=CC(=O)OC9)O)C)C)C)C)OC(O2)C
InChIKey	IEZRPAYZFJKMAJ-UHFFFAOYSA-N